Tetrodotoxin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 763
Total Number of Articles : 1631
PubChem 168312527
Molecular Formula

C11H17N3O8

SMILES

C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@]34[C@@H](C(O2)(O[C@H]1C4O)O)O)N)O)O)O

InChI

InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3?,4-,5+,6-,7+,9+,10-,11?/m1/s1

synonyms
  • TETRODOTOXIN
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Properties
Property Value
MW 319.27 g/mol
HBD 8
HBA 9
Rotatable Bond Count 1
Exact Mass 319.10156451 g/mol
Monoisotopic Mass 319.10156451 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 562
xlogp -5.9
Topological Polar Surface Area 190